iodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate

C10H16INO4 — CID 70330088

IUPACiodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)NC1CC(C(=O)OI)C1
InChIInChI=1S/C10H16INO4/c1-10(2,3)15-9(14)12-7-4-6(5-7)8(13)16-11/h6-7H,4-5H2,1-3H3,(H,12,14)
InChIKeyNKBKTNCTAMCRDZ-UHFFFAOYSA-N
MW341.15 g/mol
LogP2.18
Rot. Bonds2

About iodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate

iodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate (PubChem CID 70330088) has the molecular formula C10H16INO4 and a molecular weight of 341.15 g/mol. Its IUPAC name is iodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameiodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
PubChem CID70330088
Molecular FormulaC10H16INO4
Molecular Weight341.15 g/mol
Exact Mass341.01
IUPAC Nameiodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)NC1CC(C(=O)OI)C1
InChIInChI=1S/C10H16INO4/c1-10(2,3)15-9(14)12-7-4-6(5-7)8(13)16-11/h6-7H,4-5H2,1-3H3,(H,12,14)
InChIKeyNKBKTNCTAMCRDZ-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(1r,3r)-3-(((Tert-butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid
CID 24720963
(4S)-4-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 2755918
4-{[(Tert-butoxy)carbonyl]amino}pentanoic acid
CID 4712490
(4R)-4-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 45092285
Methyl cis-3-(Boc-amino)cyclobutanecarboxylate
CID 57415870
3-{[(Tert-butoxy)carbonyl]amino}-1-methylcyclobutane-1-carboxylic acid
CID 91402892
3-{[(Tert-butoxy)carbonyl]amino}-1-fluorocyclobutane-1-carboxylic acid
CID 155977746
2alpha-[(tert-Butyloxycarbonyl)amino]cyclobutane-1alpha-acetic acid
CID 105533159
rac-2-[(1R,2S)-2-{[(tert-butoxy)carbonyl]amino}cyclobutyl]acetic acid
CID 105533180
methyl (4S)-5-iodo-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 11810435
Methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87219708
(S)-Ethyl 4-((tert-butoxycarbonyl)amino)pentanoate
CID 92001257

Frequently Asked Questions

What is the IUPAC name of iodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate?
The IUPAC name of iodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate (CID 70330088) is iodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate.
What is the SMILES notation for iodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate?
The canonical SMILES for iodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate is CC(C)(C)OC(=O)NC1CC(C(=O)OI)C1.
What is the InChIKey of iodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate?
The InChIKey is NKBKTNCTAMCRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INO4/c1-10(2,3)15-9(14)12-7-4-6(5-7)8(13)16-11/h6-7H,4-5H2,1-3H3,(H,12,14).
What are the key properties of iodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate?
iodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate has a molecular weight of 341.15 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate is sourced from PubChem (CID 70330088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).